Crystal Structure and Synthesis of Two Steroidal Derivatives: 3β-Propanoyloxyandrost-5-en-17-one and 3β-Pentanoyloxyandrost-5-en-17-one

Abstract

C₂₂H₃₂O₃ (1) and C₂₄H₃₆O₃ (2) are orthorhombic, P2₁2₁2₁. The unit-cell dimensions for 1 and 2 at 298(2)K are a = 8.9849(11), b = 12.5300(15), c = 17.441(2)Å, V = 1963.5(4)ų, D_x = 1.165 g/cm³, and Z = 4; a = 8.9457(17), b = 12.447(2), c = 19.242(4)Å, V = 2142.6(7)ų, D_x = 1.155 g/cm³, and Z = 4, respectively. The R values for molecules 1 and 2 are R = 0.0607 for 3598 reflections and R = 0.0445 for 3981 reflections, respectively. The A, B, C, and D rings for molecule 1 are chair, half-chair, chair, half-chair (for molecule 2: chair, half-chair, chair, half-chair) conformations. In both structures, the molecules are linked by C-H…O interactions and van der Waals forces.